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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-12471
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Cu', 'Bi', 'S']
  • Chemical System: Bi-Cu-S
  • Density: 6.236201991500676
  • Atomic Density: 0.044621502770881755
  • Unit Cell Volume: 358.57151835865494
  • Molar Volume: 13.496050975517152
  • Full Formula: Cu4 Bi4 S8
  • Reduced Formula: CuBiS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm